SCHEMBL18805083

SCHEMBL18805083

CC(Cc1ccc(F)c(OCc2ccccc2)c1F)C(=O)OCCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.40
KDM1A O60341 4/20 0.39
GLRA1 P23415 1/20 0.38
PTGER1 P34995 2/20 0.38
PTGER4 P35408 2/20 0.38
PTGER3 P43115 2/20 0.38
PTGER2 P43116 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
BRD4 O60885 1/20 0.37
AKR1B10 O60218 2/20 0.36
AKR1B1 P15121 2/20 0.36
MAOB P27338 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16032856 0.89 LMNA (0.47) MMP12KDM1AGLRA1PTGER1PTGER4
SCHEMBL16096561 0.76 PTPN1 (0.45) KDM1AGLRA1PTGER1PTGER4PTGER3
SCHEMBL3176483 0.71 KDM1A (0.50) KDM1ARAB9AMAOBL3MBTL1
SCHEMBL2303271 0.71 LMNA (0.50) GLRA1L3MBTL1LMNA
SCHEMBL114275 0.70 HCAR2 (0.54) MMP12NPC1RAB9AESR1ESR2
SCHEMBL27547309 0.70 HCAR2 (0.54) MMP12NPC1RAB9AESR1ESR2
SCHEMBL25826288 0.70 ABCB1 (0.50)
SCHEMBL3617567 0.70 PTPN1 (0.61) KDM1APTGER1NPC1BRD4MAOB
SCHEMBL872788 0.69 HCAR2 (0.50) MMP12NPC1RAB9AESR1ESR2
SCHEMBL29232860 0.69 TSHR (0.58) NPC1RAB9AESR1ESR2AKR1B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3114111-B1 BICYCLIC PYRROLE DERIVATIVES USEFUL AS AGONISTS OF GPR120 JANSSEN PHARMACEUTICA NV (BE) 2019-01-09 EP disclosed
EP-2970182-B1 BICYCLIC PYRROLE DERIVATIVES USEFUL AS AGONISTS OF GPR120 JANSSEN PHARMACEUTICA NV (BE) 2017-05-03 EP disclosed